이름: ketone
SMILES:
CC(=O)c1c(-c2ccc(F)cc2)nc2cc(C3CCN(C(=O)OCc4ccccc4)CC3)ccn12Molecular Processing
Molecular formula
C28H26FN3O3
Molecular weight
471.53
Exact mass
471.1958
XLogP
5.86
TPSA
63.91
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
35
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
130.77
Supplementary Information
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